8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]sulfonyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[4-(4-fluorophenyl)sulfonylpiperazino]sulfonyl-1,3,7-trimethyl-xanthine Formula: C18H21FN6O6S2 MolecularWeight: 500.524343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H21FN6O6S2/c1-21-14-15(22(2)18(27)23(3)16(14)26)20-17(21)33(30,31)25-10-8-24(9-11-25)32(28,29)13-6-4-12(19)5-7-13/h4-7H,8-11H2,1-3H3